4QEW
 
 | | Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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5WTH
 | | Cryo-EM structure for Hepatitis A virus complexed with FAB | | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-25 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTE
 | | Cryo-EM structure for Hepatitis A virus full particle | | Descriptor: | VP1, VP2, VP3 | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ZEB
 | | PBP AccA from A. tumefaciens C58 in complex with agrocinopine A | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | | Authors: | El Sahili, A, Morera, S. | | Deposit date: | 2015-04-20 | | Release date: | 2015-08-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
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3AOC
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2W8Y
 | | RU486 bound to the progesterone receptor in a destabilized agonistic conformation | | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | | Authors: | Raaijmakers, H.C.A, Versteeg, J, Uitdehaag, J.C.M. | | Deposit date: | 2009-01-20 | | Release date: | 2009-04-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The X-Ray Structure of Ru486 Bound to the Progesterone Receptor in a Destabilized Agonistic Conformation.
J.Biol.Chem., 284, 2009
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6GWR
 | | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | | Descriptor: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-06-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
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6GJN
 | | Cyclophilin A complexed with tri-vector ligand 15. | | Descriptor: | 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea, FORMIC ACID, GLYCEROL, ... | | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-05-16 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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5DBV
 | | Structure of a C269A mutant of propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment | | Descriptor: | ACETATE ION, Aldehyde Dehydrogenase, COENZYME A, ... | | Authors: | Tuck, L.R, Altenbach, K, Ang, T.F, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J. | | Deposit date: | 2015-08-22 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
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5WTF
 | | Cryo-EM structure for Hepatitis A virus empty particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4QEV
 | | Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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6D3P
 | | Crystal structure of an exoribonuclease-resistant RNA from Sweet clover necrotic mosaic virus (SCNMV) | | Descriptor: | IRIDIUM HEXAMMINE ION, RNA (45-MER) | | Authors: | Steckelberg, A.-L, Akiyama, B.M, Costantino, D.A, Sit, T.L, Nix, J.C, Kieft, J.S. | | Deposit date: | 2018-04-16 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A folded viral noncoding RNA blocks host cell exoribonucleases through a conformationally dynamic RNA structure.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FBG
 | | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the fifth primer nucleotide. | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*CP*CP*GP*GP*TP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2017-12-19 | | Release date: | 2018-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4ZE8
 | | PBP AccA from A. tumefaciens C58 | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | | Authors: | El Sahili, A, Morera, S. | | Deposit date: | 2015-04-20 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
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6RHZ
 | | Structure of a minimal photosystem I from a green alga | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Perez Boerema, A, Klaiman, D, Caspy, I, Netzer-El, S.Y, Amunts, A, Nelson, N. | | Deposit date: | 2019-04-23 | | Release date: | 2020-02-19 | | Last modified: | 2020-03-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of a minimal photosystem I from the green alga Dunaliella salina.
Nat.Plants, 6, 2020
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7VRJ
 | | STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF Allochromatium tepidum | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Tani, K, Kobayashi, K, Hosogi, N, Ji, X.-C, Nagashima, S, Nagashima, K.V.P, Tsukatani, Y, Kanno, R, Hall, M, Yu, L.-J, Ishikawa, I, Okura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | | Deposit date: | 2021-10-23 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | A Ca 2+ -binding motif underlies the unusual properties of certain photosynthetic bacterial core light-harvesting complexes.
J.Biol.Chem., 298, 2022
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4ZEC
 | | PBP AccA from A. tumefaciens C58 in complex with agrocin 84 | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | | Authors: | El Sahili, A, Morera, S. | | Deposit date: | 2015-04-20 | | Release date: | 2015-08-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
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5DM7
 | | Crystal structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with hygromycin A | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ... | | Authors: | Kaminishi, T, Schedlbauer, A, Ochoa-Lizarralde, B, Connell, S.R, Fucini, P. | | Deposit date: | 2015-09-08 | | Release date: | 2015-11-11 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic characterization of the ribosomal binding site and molecular mechanism of action of Hygromycin A.
Nucleic Acids Res., 43, 2015
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2VMF
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-01-25 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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1SQX
 | | Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A | | Descriptor: | Cytochrome b, Cytochrome c1, heme protein, ... | | Authors: | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | | Deposit date: | 2004-03-21 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
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9B00
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with berberine analog of chloramphenicol CAM-BER, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.80A resolution | | Descriptor: | 13-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-9,10-dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Batool, Z, Pavlova, J.A, Paranjpe, M.N, Tereshchenkov, A.G, Lukianov, D.A, Osterman, I.A, Bogdanov, A.A, Sumbatyan, N.V, Polikanov, Y.S. | | Deposit date: | 2024-03-11 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Berberine analog of chloramphenicol exhibits a distinct mode of action and unveils ribosome plasticity.
Structure, 32, 2024
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4CKK
 | | Apo structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit | | Descriptor: | DNA GYRASE SUBUNIT A | | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
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4CKL
 | | Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound | | Descriptor: | DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8 | | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
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3NRM
 | | Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors | | Descriptor: | N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine, Serine/threonine-protein kinase 6 | | Authors: | Hruza, A. | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5AHS
 | | 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA | | Descriptor: | ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
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